5-[3-[[bis(2-methylpropyl)amino]diazenyl]-4-chloranyl-phenyl]-6-ethyl-pyrimidine-2,4-diamine

Systemtic Name: 5-[3-[[bis(2-methylpropyl)amino]diazenyl]-4-chloranyl-phenyl]-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-[4-chloro-3-(diisobutylamino)azo-phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-[3-[bis(2-methylpropyl)amino]azo-4-chlorophenyl]-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-[3-[[bis(2-methylpropyl)amino]diazenyl]-4-chlorophenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: [2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]azo-diisobutyl-amine Formula: C20H30ClN7 MolecularWeight: 403.9521

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN(CC(C)C)CC(C)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN(CC(C)C)CC(C)C

InChI

InChI=1S/C20H30ClN7/c1-6-16-18(19(22)25-20(23)24-16)14-7-8-15(21)17(9-14)26-27-28(10-12(2)3)11-13(4)5/h7-9,12-13H,6,10-11H2,1-5H3,(H4,22,23,24,25)